| 53 |
|
#include "applications/sequentialProps/SequentialAnalyzer.hpp" |
| 54 |
|
#include "applications/sequentialProps/CenterOfMass.hpp" |
| 55 |
|
#include "applications/sequentialProps/ContactAngle1.hpp" |
| 56 |
+ |
#include "applications/sequentialProps/ContactAngle2.hpp" |
| 57 |
|
|
| 58 |
|
using namespace OpenMD; |
| 59 |
|
|
| 132 |
|
} |
| 133 |
|
|
| 134 |
|
analyzer = new ContactAngle1(info, dumpFileName, sele1, solidZ, dropletR); |
| 135 |
+ |
} else if(args_info.ca2_given){ |
| 136 |
+ |
RealType solidZ; |
| 137 |
+ |
if (args_info.referenceZ_given) |
| 138 |
+ |
solidZ = args_info.referenceZ_arg; |
| 139 |
+ |
else { |
| 140 |
+ |
sprintf( painCave.errMsg, |
| 141 |
+ |
"--referenceZ must be set if --ca2 is used\n"); |
| 142 |
+ |
painCave.severity = OPENMD_ERROR; |
| 143 |
+ |
painCave.isFatal = 1; |
| 144 |
+ |
simError(); |
| 145 |
+ |
} |
| 146 |
+ |
RealType threshDens; |
| 147 |
+ |
if (args_info.threshDens_given) |
| 148 |
+ |
threshDens = args_info.threshDens_arg; |
| 149 |
+ |
else { |
| 150 |
+ |
sprintf( painCave.errMsg, |
| 151 |
+ |
"--threshDens must be set if --ca2 is used\n"); |
| 152 |
+ |
painCave.severity = OPENMD_ERROR; |
| 153 |
+ |
painCave.isFatal = 1; |
| 154 |
+ |
simError(); |
| 155 |
+ |
} |
| 156 |
+ |
RealType bufferLength; |
| 157 |
+ |
if (args_info.bufferLength_given) |
| 158 |
+ |
bufferLength = args_info.bufferLength_arg; |
| 159 |
+ |
else { |
| 160 |
+ |
sprintf( painCave.errMsg, |
| 161 |
+ |
"--bufferLength must be set if --ca2 is used\n"); |
| 162 |
+ |
painCave.severity = OPENMD_ERROR; |
| 163 |
+ |
painCave.isFatal = 1; |
| 164 |
+ |
simError(); |
| 165 |
+ |
} |
| 166 |
+ |
|
| 167 |
+ |
analyzer = new ContactAngle2(info, dumpFileName, sele1, solidZ, |
| 168 |
+ |
threshDens, bufferLength, args_info.nbins_arg, |
| 169 |
+ |
args_info.nbins_z_arg); |
| 170 |
|
} |
| 171 |
|
|
| 172 |
|
if (args_info.output_given) { |
